| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A new Cu(II) three-dimensional network with 4,4′-oxybis benzoic acid: structural diversity, EPR, and magnetism
|
Datta, Amitabha
|
|
2017
|
29 |
2 |
p. 553-561
|
artikel
|
| 2 |
Arrangement and nature of intermolecular hydrogen bonding in complex biomolecular systems: modeling the vitamin C---L-alanine interaction
|
Ebrahimi, Saeid
|
|
2017
|
29 |
2 |
p. 491-502
|
artikel
|
| 3 |
Chloropicrin sensor based on the pristine BN nanocones: DFT studies
|
Vessally, E.
|
|
2017
|
29 |
2 |
p. 585-592
|
artikel
|
| 4 |
Clˉ as the halogen bond acceptor: studies on strong halogen bonds
|
Wang, Jiaojiao
|
|
2017
|
29 |
2 |
p. 503-511
|
artikel
|
| 5 |
Computational study of phenolic compounds-water clusters
|
Cesari, Laëtitia
|
|
2018
|
29 |
2 |
p. 625-643
|
artikel
|
| 6 |
Constructing Penrose-like tilings with 7-fold symmetry
|
Madison, A.E.
|
|
2018
|
29 |
2 |
p. 645-655
|
artikel
|
| 7 |
Hydrogen-abstraction reactions of fully hydrogenated silicon fullerene cages with the amino radical: a density functional study
|
Anafcheh, Maryam
|
|
2017
|
29 |
2 |
p. 607-614
|
artikel
|
| 8 |
Influence of swelling in supercritical carbon dioxide of Ultem and polyhexafluoropropylene thin films on their gas separation properties: comparative analysis
|
Ronova, I. A.
|
|
2017
|
29 |
2 |
p. 457-466
|
artikel
|
| 9 |
Investigation of adsorption mechanism of Fe, Cu, and Zn ions in extraction and preconcentration process on synthesized graphene oxide using an indole derivative
|
Pourjavid, Mohammad Reza
|
|
2017
|
29 |
2 |
p. 615-624
|
artikel
|
| 10 |
Ion-pair recognition based on halogen bonding: a case of the crown-ether receptor with iodo-trizole moiety
|
Zhou, Li
|
|
2017
|
29 |
2 |
p. 533-540
|
artikel
|
| 11 |
Mapping out reaction paths for conformational changes in (MgO)n clusters: a study based on a stochastic procedure
|
Mirdha, Rijaul Haque
|
|
2017
|
29 |
2 |
p. 523-532
|
artikel
|
| 12 |
M···π-conjugated complexes: simple materials with dramatic NLO features (M = Li, Na, K, and π = butadiene, cyclobutadiene, hexatriene, benzene)
|
Hosseini, Seyyedeh Marziyeh
|
|
2017
|
29 |
2 |
p. 415-422
|
artikel
|
| 13 |
Molecular modeling of potential PET imaging agents for adenosine receptor in Parkinson’s disease
|
Tamiji, Z.
|
|
2017
|
29 |
2 |
p. 467-479
|
artikel
|
| 14 |
Pharmacophore modeling, 3D-QSAR, docking, and molecular dynamics simulation on topoisomerase IV inhibitors of wild type Staphylococcus aureus
|
Ballu, Srilata
|
|
2017
|
29 |
2 |
p. 593-605
|
artikel
|
| 15 |
QSAR modeling of dihydrofolate reductase inhibitors as a therapeutic target for multiresistant bacteria
|
Veselinović, Jovana B.
|
|
2017
|
29 |
2 |
p. 541-551
|
artikel
|
| 16 |
QSAR study of 2,4-dihydro-3H-1,2,4-triazol-3-ones derivatives as angiotensin II AT1 receptor antagonists based on the Monte Carlo method
|
Stoičkov, Viktor
|
|
2017
|
29 |
2 |
p. 441-449
|
artikel
|
| 17 |
Quantitative relationships between bond lengths, stretching vibrational frequencies, bond force constants, and bond orders in the hydrogen-bonded complexes involving hydrogen halides
|
Yang, Fan
|
|
2017
|
29 |
2 |
p. 513-521
|
artikel
|
| 18 |
Quantum chemical calculations of the active site of the solute-binding protein PsaA from Streptococcus pneumoniae explain electronic selectivity of metal binding
|
Manzetti, Sergio
|
|
2017
|
29 |
2 |
p. 393-401
|
artikel
|
| 19 |
Solvent-assisted intramolecular proton transfer in thiopurinol: application of M06-2X functional
|
Karimzadeh, Morteza
|
|
2017
|
29 |
2 |
p. 383-391
|
artikel
|
| 20 |
Structural, spectroscopic and docking properties of resorcinol, its -OD isotopomer and dianion derivative: a comparative study
|
Onawole, Abdulmujeeb T.
|
|
2018
|
29 |
2 |
p. 403-414
|
artikel
|
| 21 |
Structures and electronic properties of CumCon-CO2-H2O(m + n = 2~7) clusters
|
Huo, Peiying
|
|
2017
|
29 |
2 |
p. 577-584
|
artikel
|
| 22 |
Synthesis, crystal structure, and hydrogen-bonded displacive-type structural phase transition of guanidine dichloroacetate
|
Li, Shi-Geng
|
|
2017
|
29 |
2 |
p. 451-456
|
artikel
|
| 23 |
Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations
|
Cvijetić, Ilija N.
|
|
2017
|
29 |
2 |
p. 423-434
|
artikel
|
| 24 |
Theoretical conformational analysis of opiate peptides Leu-Enkephalin (H-Tyr-Gly-Gly-Phe-Leu-OH) and its two thioamide analogs (H-Tyr-Glyψ[CSNH]Gly-Phe-Leu-OH) and (H-Tyr-Gly-Glyψ[CSNH]Phe-Leu-OH)
|
Ameziane Hassani, Chakib
|
|
2017
|
29 |
2 |
p. 481-489
|
artikel
|
| 25 |
Theoretical exploring of the substituent effect on the NQR and NMR parameters in a platinum-based anticancer drug, trans-(NHC) PtI2 (para-NC5H4X) complex
|
Hosein Saraf, Sarvin
|
|
2017
|
29 |
2 |
p. 435-440
|
artikel
|
| 26 |
Ti functionalized carbon and boron nitride chains: a promising material for hydrogen storage
|
Shalabi, A. S.
|
|
2017
|
29 |
2 |
p. 563-576
|
artikel
|
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